methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate

C12H17NO3 — CID 67177747

IUPACmethyl (2S)-2-amino-3-(1-phenylethoxy)propanoate
SMILESCOC(=O)[C@@H](N)COC(C)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(10-6-4-3-5-7-10)16-8-11(13)12(14)15-2/h3-7,9,11H,8,13H2,1-2H3/t9?,11-/m0/s1
InChIKeyUENCKIOJRNHLSV-UMJHXOGRSA-N
MW223.27 g/mol
LogP1.26
Rot. Bonds5

About methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate

methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate (PubChem CID 67177747) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(1-phenylethoxy)propanoate
PubChem CID67177747
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl (2S)-2-amino-3-(1-phenylethoxy)propanoate
SMILESCOC(=O)[C@@H](N)COC(C)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(10-6-4-3-5-7-10)16-8-11(13)12(14)15-2/h3-7,9,11H,8,13H2,1-2H3/t9?,11-/m0/s1
InChIKeyUENCKIOJRNHLSV-UMJHXOGRSA-N
XLogP1.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride
CID 74889903
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
(2S)-2-amino-3-phenylpropanoic acid;methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 70629808

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate (CID 67177747) is methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate is COC(=O)[C@@H](N)COC(C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate?
The InChIKey is UENCKIOJRNHLSV-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(10-6-4-3-5-7-10)16-8-11(13)12(14)15-2/h3-7,9,11H,8,13H2,1-2H3/t9?,11-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate?
methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate is sourced from PubChem (CID 67177747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).